Structure of PDB 7wx6 Chain A Binding Site BS03
Receptor Information
>7wx6 Chain A (length=267) Species:
446
(Legionella pneumophila) [
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PRGSMITQVNQLDELQLKDLKTLRAECKKNDGSIPNLYIHILKQHRSLPT
SFLYYQNGALIGFLSIYFFAVEVAVLVSPQYRRQGIAKQLIKEALPLLIF
SCPSRLNDNWLTSKGFTYLHSEYFMERDDLNPILIRPLSFRMATLEDIPI
LCGLDEVCFPDSVHRFQQILNEREYEIVIAMLNNHPIGKSHIRWQTKRAT
LSDIAILPKEQGKGFGSALIAHCINMILSEGKSRVDLDVETHNKKALNLY
IQLGFHIQNACDYWSIN
Ligand information
Ligand ID
CLM
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
InChIKey
WIIZWVCIJKGZOK-RKDXNWHRSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341
OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
CACTVS 3.341
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04
ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO
Formula
C11 H12 Cl2 N2 O5
Name
CHLORAMPHENICOL
ChEMBL
CHEMBL130
DrugBank
DB00446
ZINC
ZINC000000113382
PDB chain
7wx6 Chain A Residue 303 [
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Receptor-Ligand Complex Structure
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PDB
7wx6
Structural basis for the acetylation mechanism of the Legionella effector VipF.
Resolution
2.273 Å
Binding residue
(original residue number in PDB)
N32 L33 Y34 E129 F131 E253 Y276
Binding residue
(residue number reindexed from 1)
N36 L37 Y38 E122 F124 E240 Y263
Annotation score
3
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016747
acyltransferase activity, transferring groups other than amino-acyl groups
View graph for
Molecular Function
External links
PDB
RCSB:7wx6
,
PDBe:7wx6
,
PDBj:7wx6
PDBsum
7wx6
PubMed
36048151
UniProt
Q5C8M4
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